2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid

C8H15NO4 — CID 3799385

IUPAC2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid
SMILESCC1(O)CCOCC1NCC(=O)O
InChIInChI=1S/C8H15NO4/c1-8(12)2-3-13-5-6(8)9-4-7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11)
InChIKeyCHRXIJXXDQWKCQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.80
Rot. Bonds3

About 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid

2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid (PubChem CID 3799385) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid
PubChem CID3799385
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid
SMILESCC1(O)CCOCC1NCC(=O)O
InChIInChI=1S/C8H15NO4/c1-8(12)2-3-13-5-6(8)9-4-7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11)
InChIKeyCHRXIJXXDQWKCQ-UHFFFAOYSA-N
XLogP-0.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Glycine, N-(1,5-anhydro-2,4-dideoxy-3-C-methyl-L-threo-pentitol-2-yl)-
CID 1747749
L-threo-Pentitol, 1,5-anhydro-2-((3-carboxypropyl)amino)-2,4-dideoxy-3-C-methyl-
CID 1859591
beta-Alanine, N-(1,5-anhydro-2,4-dideoxy-3-C-methyl-L-threo-pentitol-2-yl)-
CID 3077439
L-Glutamic acid, N-(1,5-anhydro-2,4-dideoxy-3-C-methyl-L-threo-pentitol-2-yl)-
CID 5747875
methyl 2-[[(1S)-1-(oxan-4-yl)ethyl]amino]acetate
CID 97610090
3-[(4-Hydroxy-4-methyloxan-3-yl)amino]propanoic acid
CID 3137808
2-[(4-Hydroxy-4-methyloxan-3-yl)amino]-4-methylpentanoic acid
CID 3383157
2-[(4-Hydroxyoxan-4-yl)methylamino]-4-methylpentanoic acid
CID 14861614
2-(4-Hydroxy-4-methyl-tetrahydro-pyran-3-ylamino)-pentanoic acid
CID 551765
(2S)-2-(oxan-4-ylmethylamino)propanoic acid
CID 83194902
methyl (2S)-3-hydroxy-2-(oxan-4-ylmethylamino)propanoate
CID 143797005
2-[[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]azaniumyl]acetate
CID 1747741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid (CID 3799385) is 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid is CC1(O)CCOCC1NCC(=O)O.
What is the InChIKey of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid?
The InChIKey is CHRXIJXXDQWKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(12)2-3-13-5-6(8)9-4-7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid?
2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid has a molecular weight of 189.21 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid is sourced from PubChem (CID 3799385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).